How to Install and Uninstall gromacs-openmpi Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: December 23,2024

1. Install "gromacs-openmpi" package

Please follow the steps below to install gromacs-openmpi on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                gromacs-openmpi
            
                    
    
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2. Uninstall "gromacs-openmpi" package

This tutorial shows how to uninstall gromacs-openmpi on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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                sudo apt remove
            
                        
                gromacs-openmpi
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the gromacs-openmpi package on Ubuntu 16.04 LTS (Xenial Xerus)

Package: gromacs-openmpi
Priority: extra
Section: universe/science
Installed-Size: 21376
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Source: gromacs
Version: 5.1.2-1ubuntu1
Replaces: gromacs-dev (<< 4.6.3-3~), gromacs-lam
Depends: openmpi-bin (>= 1.2.3), libc6 (>= 2.15), libfftw3-double3, libfftw3-single3, libgcc1 (>= 1:3.0), libgomp1 (>= 4.9), libopenmpi1.10, libstdc++6 (>= 5.2), zlib1g (>= 1:1.2.0)
Recommends: gromacs
Suggests: gromacs-data
Breaks: gromacs-dev (<< 4.6.3-3~)
Filename: pool/universe/g/gromacs/gromacs-openmpi_5.1.2-1ubuntu1_amd64.deb
Size: 7827896
MD5sum: 1c7caa7c9a3d08fd7ef378889d1d4589
SHA1: 29cbf749618a8b460fbaec1ad6a27493ecd909a2
SHA256: 1739c1b73ad768f368c3918941d750f58e7076344f0cc278531ed0696748719e
Description-en: Molecular dynamics sim, binaries for OpenMPI parallelization
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
It is primarily designed for biochemical molecules like proteins and lipids
that have a lot of complicated bonded interactions, but since GROMACS is
extremely fast at calculating the nonbonded interactions (that usually
dominate simulations) many groups are also using it for research on non-
biological systems, e.g. polymers.
.
This package contains only the core simulation engine with parallel
support using the OpenMPI interface. It is suitable for nodes of a
processing cluster, or for multiprocessor machines.
Description-md5: c30854a1f128b7a83468fdd24f8edbc3
Homepage: http://www.gromacs.org/
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu